5-chloro-2-(methylsulfanyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methylsulfanyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
5-chloro-2-(methylsulfanyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0216 |
| Compound Name: | 5-chloro-2-(methylsulfanyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide |
| Molecular Weight: | 333.84 |
| Molecular Formula: | C9 H8 Cl N5 O S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1nnc(SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3984 |
| logD: | 2.7722 |
| logSw: | -3.7259 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.821 |
| InChI Key: | UPBRPKPWSZUCMZ-UHFFFAOYSA-N |